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1

Ab initio investigations on lithium–superhalogen (Li–X) complexes (X = LiF 2 , BeF 3 , BF 4 and PF 6 ): competition between s-block and p-block anions

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 247 KB

english, 2015

2

Phase I Clinical Studies of the Advanced Glycation End-product (AGE)-Breaker TRC4186

Kumar P. Chandra, Ajay Shiwalkar, Jignesh Kotecha, Purav Thakkar, Ambrish Srivastava, Vijay Chauthaiwale, Sanjay K. Sharma, Maurice R. Cross, Dr Chaitanya Dutt

Journal:

Clinical Drug Investigation

Year:

2009

Language:

english

File:

PDF, 221 KB

english, 2009

3

Novel (Li 2 X) + (LiX 2 ) − supersalts (X = F, Cl) with aromaticity: a journey towards the design of a new class of salts

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 337 KB

english, 2014

4

Structures, stabilities and electronic properties of manganese oxyfluoride (MnO x F y ) species ( x + y = 1–4; x , y = 0–4)

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 370 KB

english, 2014

5

Unusual properties of novel Li 3 F 3 ring: (LiF 2 –Li 2 F) superatomic cluster or lithium fluoride trimer, (LiF) 3 ?

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2014

Language:

english

File:

PDF, 511 KB

english, 2014

6

Fluorinated ferromagnetic metal clusters and their superhalogen behaviour

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 526 KB

english, 2015

7

Theoretical investigation on the structure, stability and superhalogen properties of OsFn (n=1–7) species

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Journal of Fluorine Chemistry

Year:

2014

Language:

english

File:

PDF, 708 KB

english, 2014

8

FT-IR spectroscopy, intra-molecular C−H⋯O interactions, HOMO, LUMO, MESP analysis and biological activity of two natural products, triclisine and rufescine: DFT and QTAIM approaches

Srivastava, Ambrish Kumar, Pandey, Anoop Kumar, Jain, Sudha, Misra, Neeraj

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 874 KB

english, 2015

9

Novel planar chain like Li7F7 and Li9F9 nanostructures

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2014

Language:

english

File:

PDF, 689 KB

english, 2014

10

Structures, stabilities, electronic and magnetic properties of small RhxMny (x+y=2–4) clusters

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Computational and Theoretical Chemistry

Year:

2014

Language:

english

File:

PDF, 906 KB

english, 2014

11

Novel Li3X3 supersalts (X = F, Cl, Br & I) and their alkalide characteristics

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2014

Language:

english

File:

PDF, 1.25 MB

english, 2014

12

Ab initio investigations on the stabilities of AuO n q − ( q = 0 to 3; n = 1 to 4) species: Superhalogen behavior of AuO n ( n ≥ 2) and their interactions with an alkali metal

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 355 KB

english, 2014

13

Theoretical investigations on the superhalogen properties and interaction of PdO n ( n = 1-5) species

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

International Journal of Quantum Chemistry

Year:

2014

Language:

english

File:

PDF, 387 KB

english, 2014

14

Can Li 2 F 2 cluster be formed by LiF 2 /Li 2 F–Li/F interactions? An ab initio investigation

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Simulation

Year:

2014

Language:

english

File:

PDF, 214 KB

english, 2014

15

First principle investigations on the superhalogen behaviour of RuOn(n = 1–5) species

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

The European Physical Journal D / Atomic, Molecular, Optical and Plasma Physics

Year:

2014

Language:

english

File:

PDF, 592 KB

english, 2014

16

A comparative theoretical study on the biological activity, chemical reactivity, and coordination ability of dichloro-substituted (1,3-thiazol-2-yl)acetamides

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Canadian Journal of Chemistry

Year:

2014

Language:

english

File:

PDF, 382 KB

english, 2014

17

Introducing “carborazine” as a novel heterocyclic aromatic species

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2015

Language:

english

File:

PDF, 1.94 MB

english, 2015

18

The boron–carbon–nitrogen heterocyclic rings

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.12 MB

english, 2015

19

Superhalogen properties of ReFn (n≥6) species

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 648 KB

english, 2015

20

Preferential targeting of human erythrocytes infected with the malaria parasite Plasmodium falciparum via hexose transporter surface proteins

Heikham, Kajal Devi, Gupta, Ankit, Kumar, Ambrish, Singh, Chandan, Saxena, Juhi, Srivastava, Kumkum, Puri, Sunil K., Dwivedi, Anil K., Habib, Saman, Misra, Amit

Journal:

International Journal of Pharmaceutics

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

21

Vibrational spectra, HOMO, LUMO, MESP surfaces and reactivity descriptors of amylamine and its isomers: A DFT study

Dwivedi, Apoorva, Srivastava, Ambrish Kumar, Bajpai, Abhishek

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2015

Language:

english

File:

PDF, 701 KB

english, 2015

22

Combined experimental (FT-IR, UV–visible spectra, NMR) and theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces, reactivity descriptor and molecular docking of Phomarin

Kumar, Abhishek, Srivastava, Ambrish Kumar, Gangwar, Shashi, Misra, Neeraj, Mondal, Avijit, Brahmachari, Goutam

Journal:

Journal of Molecular Structure

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

23

Tuning the oxidation states of Au and exploring new superhalogen anions, AuOxFy− (x, y=1–4; x+y=2–5)

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 1.27 MB

english, 2015

24

Structures, stability, and electronic properties of novel superalkali-halogen clusters

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

25

Ab initio investigations on planar (MgO) n clusters ( n = 1–5) and their hydrogen adsorption behaviour

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Simulation

Year:

2015

Language:

english

File:

PDF, 478 KB

english, 2015

26

Superalkali-hydroxides as strong bases and superbases

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2015

Language:

english

File:

PDF, 775 KB

english, 2015

27

Superhalogen properties of CoO n (n ≥ 3) species revealed by density functional theory

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Theoretica Chimica Acta

Year:

2015

Language:

english

File:

PDF, 842 KB

english, 2015

28

Structural, Electronic Properties, Hydrogen Bonding Analyses, and Biological Activity of Two Multiple Myeloma Drugs: Lenalidomide and Pomalidomide

Srivastava, Ambrish Kumar, Pandey, Anoop Kumar, Pandey, Saurabh, Misra, Neeraj

Journal:

Polycyclic Aromatic Compounds

Year:

2015

Language:

english

File:

PDF, 346 KB

english, 2015

29

Nonlinear optical behavior of LinF (n = 2–5) superalkali clusters

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Journal of Molecular Modeling

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

30

Hydrogenated superhalogens behave as superacids

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2015

Language:

english

File:

PDF, 671 KB

english, 2015

31

Synthesis, spectral (FT-IR, UV-visible, NMR) features, biological activity prediction and theoretical studies of 4-Amino-3-(4-hydroxybenzyl)-1H-1,2,4-triazole-5(4H)-thione and its tautomer

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj, Manjula, P.S., Sarojini, B.K., Narayana, B.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 825 KB

english, 2016

32

Superbases and superacids form supersalts

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2015

Language:

english

File:

PDF, 937 KB

english, 2015

33

Visible light assisted photocatalytic [3+2] azide-alkyne “click” reaction for the synthesis of 1,4- substituted 1, 2, 3-triazoles using a novel bimetallic Ru-Mn complex

Jain, s, Kumar, Pawan, Joshi, chetan, Srivastava, Ambrish Kumar, gupta, Piyush, Boukherroub, Rabah

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2015

Language:

english

File:

PDF, 553 KB

english, 2015

34

3,5,7-Trimethoxyphenanthrene-1,4-dione: A new biologically relevant natural phenanthrenequinone derivative from Dioscorea prazeri and studies on its single X-ray crystallographic behavior, molecular docking and other physico-chemical properties

Brahmachari, Goutam, Das, Satipada, Biswas, Maya, Kumar, Abhishek, Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2016

Language:

english

File:

PDF, 1.89 MB

english, 2016

35

OLi3O– anion: Designing the strongest base to date using OLi3 superalkali

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 983 KB

english, 2016

36

Stability versus aromaticity in mono-hydroxylated borazine, 1,2-azaborine and 1,3,2,4-diazadiborine

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Molecular Physics

Year:

2016

Language:

english

File:

PDF, 1.14 MB

english, 2016

37

Conformational analysis, inter-molecular interactions, electronic properties and vibrational spectroscopic studies on cis -4-hydroxy- d -proline

Srivastava, Ambrish Kumar, Dwivedi, Apoorva, Kumar, Abhishek, Gangwar, Shashi Kumar, Misra, Neeraj, Sauer, Stephan P.A.

Journal:

Cogent Chemistry

Year:

2016

Language:

english

File:

PDF, 1.53 MB

english, 2016

38

Synthesis, spectroscopic characterization and crystallographic behavior of a biologically relevant novel indole-fused heterocyclic compound — Experimental and theoretical (DFT) studies

Sharma, Sakshi, Brahmachari, Goutam, Banerjee, Bubun, Nurjamal, Khondekar, Kumar, Abhishek, Srivastava, Ambrish Kumar, Misra, Neeraj, Pandey, Sarvesh Kumar, Rajnikant,, Gupta, Vivek K.

Journal:

Journal of Molecular Structure

Year:

2016

Language:

english

File:

PDF, 3.41 MB

english, 2016

39

Remarkable NLO Responses of Hyperalkalized Species: Size Effect and Atomic Number Dependence

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

New Journal of Chemistry

Year:

2016

Language:

english

File:

PDF, 1.19 MB

english, 2016

40

BO 2 -functionalized B 3 N 3 C 54 Heterofullerene as a Possible Candidate for Molecular Spintronics and Nonlinear Optics

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Materials Research Express

Year:

2016

Language:

english

File:

PDF, 1.99 MB

english, 2016

41

A quantum chemical study of YFn nano clusters – An investigation of superhalogen properties

Pandey, Anoop Kumar, Srivastava, Ambrish Kumar, Dwivedi, Apoorva

Journal:

Main Group Chemistry

Year:

2015

Language:

english

File:

PDF, 934 KB

english, 2015

42

M 2 X (M= Li, Na; X= F, Cl): the smallest superalkali clusters with significant NLO responses and electride characteristics

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Molecular Simulation

Year:

2016

Language:

english

File:

PDF, 842 KB

english, 2016

43

Hydrogenated superalkalis and their possible applications

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Journal of Molecular Modeling

Year:

2016

Language:

english

File:

PDF, 1.36 MB

english, 2016

44

Superhalogens as building blocks of complex hydrides for hydrogen storage

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Electrochemistry Communications

Year:

2016

Language:

english

File:

PDF, 1.22 MB

english, 2016

45

Prediction of Superalkali@C60 Endofullerenes, Their Enhanced Stability and Interesting Properties

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Chemical Physics Letters

Year:

2016

Language:

english

File:

PDF, 1.60 MB

english, 2016

46

The aromaticity and electronic properties of monosubstituted benzene, borazine and diazadiborine rings: an ab initio MP2 study

Srivastava, Ambrish Kumar, Pandey, Sarvesh Kumar, Misra, Neeraj

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2016

Language:

english

File:

PDF, 1.09 MB

english, 2016

47

Quantum chemical investigation on structures and energetics of Tungsten Fluoride (WF\(_{\boldsymbol {n}}^{~\boldsymbol {q}}\)) species (q=0, ±1;n

SRIVASTAVA, AMBRISH KUMAR, PANDEY, ANOOP KUMAR, MISRA, NEERAJ

Journal:

Journal of Chemical Sciences

Year:

2015

Language:

english

File:

PDF, 847 KB

english, 2015

48

Designing New Electrolytic Salts for Lithium Ion Batteries Using Superhalogen Anions

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2016

Language:

english

File:

PDF, 961 KB

english, 2016

49

Structure and properties of li@C60−PF6 endofullerene complex

Srivastava, Ambrish Kumar, Kumar, Abhishek, Misra, Neeraj

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Year:

2016

Language:

english

File:

PDF, 1.20 MB

english, 2016

50

ChemInform Abstract: Novel Li 3 X 3 Supersalts (X: F, Cl, Br and I) and Their Alkalide Characteristics.

Srivastava, Ambrish Kumar, Misra, Neeraj

Journal:

Year:

2014

File:

PDF, 13 KB

2014